(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C82H89ClF3N21O3S2 — CID 163738897

IUPAC(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccn1.CCc1cc2c(NC3CCCC3)ncnc2s1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1ccc(CCNc2ncnc3c2cnn3C)cc1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1
InChIInChI=1S/C21H22ClN5O.C20H21F3N4O.C15H17N5O.C13H12N4S.C13H17N3S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-20-15-13(9-19-20)14(17-10-18-15)16-8-7-11-3-5-12(21-2)6-4-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12;1-2-10-7-11-12(14-8-15-13(11)17-10)16-9-5-3-4-6-9/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-6,9-10H,7-8H2,1-2H3,(H,16,17,18);2-9H,1H3,(H,15,16,17);7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyLGARXAXGOXAZKQ-UHFFFAOYSA-N
MW1573.34 g/mol
LogP16.58
Rot. Bonds20

About (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 163738897) has the molecular formula C82H89ClF3N21O3S2 and a molecular weight of 1573.34 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID163738897
Molecular FormulaC82H89ClF3N21O3S2
Molecular Weight1573.34 g/mol
Exact Mass1571.65
IUPAC Name(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1ccccn1.CCc1cc2c(NC3CCCC3)ncnc2s1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1ccc(CCNc2ncnc3c2cnn3C)cc1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1
InChIInChI=1S/C21H22ClN5O.C20H21F3N4O.C15H17N5O.C13H12N4S.C13H17N3S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-20-15-13(9-19-20)14(17-10-18-15)16-8-7-11-3-5-12(21-2)6-4-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12;1-2-10-7-11-12(14-8-15-13(11)17-10)16-9-5-3-4-6-9/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-6,9-10H,7-8H2,1-2H3,(H,16,17,18);2-9H,1H3,(H,15,16,17);7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyLGARXAXGOXAZKQ-UHFFFAOYSA-N
XLogP16.58
TPSA256.22 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.34
LogP ≤ 516.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;3-methyl-N-(4-phenylbutan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine;N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 163985994
5-[7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;5-[7-amino-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone;3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 160632341

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 163738897) is (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1ccccn1.CCc1cc2c(NC3CCCC3)ncnc2s1.CN(C)c1ccc2ncnc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1.COc1ccc(CCNc2ncnc3c2cnn3C)cc1.COc1cccc(C(CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)c1.
What is the InChIKey of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LGARXAXGOXAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.C20H21F3N4O.C15H17N5O.C13H12N4S.C13H17N3S/c1-25(2)17-7-8-19-18(13-17)20(24-14-23-19)26-9-11-27(12-10-26)21(28)15-3-5-16(22)6-4-15;1-27(2)17(13-7-6-8-14(11-13)28-3)12-24-18-15-9-4-5-10-16(15)25-19(26-18)20(21,22)23;1-20-15-13(9-19-20)14(17-10-18-15)16-8-7-11-3-5-12(21-2)6-4-11;1-9(11-4-2-3-6-14-11)17-12-10-5-7-18-13(10)16-8-15-12;1-2-10-7-11-12(14-8-15-13(11)17-10)16-9-5-3-4-6-9/h3-8,13-14H,9-12H2,1-2H3;4-11,17H,12H2,1-3H3,(H,24,25,26);3-6,9-10H,7-8H2,1-2H3,(H,16,17,18);2-9H,1H3,(H,15,16,17);7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1573.34 g/mol, XLogP of 16.58, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163738897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).